(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-N-[4-(1-azepanylsulfonyl)phenyl]-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorobenzoyl)nipecotamide Formula: C25H30FN3O4S MolecularWeight: 487.586803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O4S/c26-21-9-7-19(8-10-21)25(31)28-15-5-6-20(18-28)24(30)27-22-11-13-23(14-12-22)34(32,33)29-16-3-1-2-4-17-29/h7-14,20H,1-6,15-18H2,(H,27,30)/t20-/m0/s1